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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:arasertaconazole
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Accession:CHEBI:83685 term browser browse the term
Definition:A 1-{2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole that is the active R-enantiomer of sertaconazole and is used (as its nitrate salt) for treatment of vulvovaginal candidiasis. The racemate itself is also used as a broad-spectrum antifungal drug.
Synonyms:exact_synonym: 1-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
 related_synonym: (R)-sertaconazole;   Formula=C20H15Cl3N2OS;   InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/t19-/m0/s1;   InChIKey=JLGKQTAYUIMGRK-IBGZPJMESA-N;   SMILES=Clc1ccc([C@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1;   arasertaconazol;   arasertaconazolum
 xref: CAS:583057-48-1;   Patent:EP2436374;   Patent:WO2012041966;   Reaxys:11333066
 cyclic_relationship: is_conjugate_base_of CHEBI:83699;   is_enantiomer_of CHEBI:83684


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sertaconazole term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G KCNH2 potassium voltage-gated channel subfamily H member 2 decreases activity EXP sertaconazole results in decreased activity of KCNH2 protein CTD PMID:28551711 NCBI chr 7:150,944,956...150,978,321
Ensembl chr 7:150,944,961...150,978,321
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Term paths to the root
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Term Annotations click to browse term
  CHEBI ontology 24513
    role 24426
      application 23840
        anti-inflammatory agent 16832
          anti-inflammatory drug 14535
            non-steroidal anti-inflammatory drug 13558
              arasertaconazole 1
                sertaconazole 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 24513
    subatomic particle 24471
      composite particle 24471
        hadron 24471
          baryon 24471
            nucleon 24471
              atomic nucleus 24471
                atom 24471
                  main group element atom 24329
                    p-block element atom 24329
                      carbon group element atom 24114
                        carbon atom 24076
                          organic molecular entity 24076
                            organic molecule 23957
                              organic cyclic compound 23156
                                organic heterocyclic compound 21323
                                  heteroarene 18132
                                    monocyclic heteroarene 14683
                                      azole 13963
                                        diazole 9030
                                          imidazoles 8225
                                            imidazole antifungal agent 1291
                                              imidazole antifungal drug 818
                                                arasertaconazole 1
                                                  sertaconazole 1
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